1-(3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazine

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazine Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine CAS Name: 1-(3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine Traditional Name: 1-(3-nitrophenyl)sulfonyl-4-[4-(trifluoromethoxy)benzyl]piperazine Formula: C18H18F3N3O5S MolecularWeight: 445.41283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5S/c19-18(20,21)29-16-6-4-14(5-7-16)13-22-8-10-23(11-9-22)30(27,28)17-3-1-2-15(12-17)24(25)26/h1-7,12H,8-11,13H2